4-chloro-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N,N-dipropylpyrimidin-5-amine | 1067229-04-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-chloro-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N,N-dipropylpyrimidin-5-amine
• CAS: 1067229-04-2
• 化学式: C₂₀H₂₈ClN₃O
• 分子量: 361.915
• InChiKey: LKIPBDJXSAGBTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  丙醇 、 4-chloro-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N,N-dipropylpyrimidin-5-amine 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 生成 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-6-propoxy-N,N-dipropylpyrimidin-5-amine
  参考文献：
  名称：

  2-Arylpyrimidines: Novel CRF-1 receptor antagonists

  摘要：

  The design, synthesis and structure-activity relationship studies of a novel series of CRF-1 receptor antagonists, the 2-arylpyrimidines, are described. The effects of substitution on the aromatic ring and the pyrimidine core on CRF-1 receptor binding were investigated. A number of compounds with K-i values below 10 nM and lipophilicity in a minimally acceptable range for a CNS drug (cLogP < 5) were discovered. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.063
• 作为产物：
  描述：

  5-dipropylamino-2-(2-methoxy-4,6-dimethyl-phenyl)-6-methyl-3H-pyrimidin-4-one 在 三氯氧磷 作用下， 以77%的产率得到4-chloro-2-(2-methoxy-4,6-dimethylphenyl)-6-methyl-N,N-dipropylpyrimidin-5-amine
  参考文献：
  名称：

  2-Arylpyrimidines: Novel CRF-1 receptor antagonists

  摘要：

  The design, synthesis and structure-activity relationship studies of a novel series of CRF-1 receptor antagonists, the 2-arylpyrimidines, are described. The effects of substitution on the aromatic ring and the pyrimidine core on CRF-1 receptor binding were investigated. A number of compounds with K-i values below 10 nM and lipophilicity in a minimally acceptable range for a CNS drug (cLogP < 5) were discovered. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.063